(4-methoxycarbonylphenyl) 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H29N3O5/c1-17-6-4-7-18(2)22(17)25-21(28)16-26-12-5-13-27(15-14-26)24(30)32-20-10-8-19(9-11-20)23(29)31-3/h4,6-11H,5,12-16H2,1-3H3,(H,25,28)